CID 9528

Flurothyl

Structural Information

Molecular Formula
C4H4F6O
SMILES
C(C(F)(F)F)OCC(F)(F)F
InChI
InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2
InChIKey
KGPPDNUWZNWPSI-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

358
References

4765
Patents

182.01663 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02391 128.0
[M+Na]+ 205.00585 137.3
[M-H]- 181.00935 121.1
[M+NH4]+ 200.05045 147.9
[M+K]+ 220.97979 136.4
[M+H-H2O]+ 165.01389 119.4
[M+HCOO]- 227.01483 143.1
[M+CH3COO]- 241.03048 179.9
[M+Na-2H]- 202.99130 133.9
[M]+ 182.01608 120.9
[M]- 182.01718 120.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe